![N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide structure](/static/products/906/906221-86-1.png)
N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
TL;DR: N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide (CAS 906221-86-1) is a chemical compound with molecular formula C23H27N5O5S and molecular weight 485.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[7-(2,2-dimethylpropyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
Also Known As: N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2,2-dimethylpropyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[7-(2,2-dimethylpropyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl](6,8-dimethyl-2-neopentyl-5,7-dioxo-1,3,6,8-tetraaza-5,6,7,8-tetrahydro-4-naphthylthio)acetamide
| Molecular Formula | C23H27N5O5S |
|---|---|
| Molecular Weight | 485.17 g/mol |
| LogP | 1.753 |
| Topological Polar Surface Area | 117.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.17328 |
| Heavy Atoms | 34 |
| Complexity | 1389.7223 |
Chemical Identifiers
| CAS Number | 906221-86-1 |
|---|---|
| SMILES | CC(C)(C)CC1=NC2=C(C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N(C(=O)N2C)C |
Product Overview
N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide (CAS 906221-86-1), with molecular formula C23H27N5O5S and molecular weight 485.17 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-(2,2-dimethylpropyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide.
Chemical Property Profile of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
Property Insights of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
The XLogP value of 1.753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide. The TPSA of 117.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide?
The CAS number of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide is 906221-86-1.
What is the molecular formula of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide?
The molecular formula of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide is C23H27N5O5S.
What is the molecular weight of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide?
The molecular weight of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide is 485.17 g/mol.
Where can I buy N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide?
You can request a quote for N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-2-neopentyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.